(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine

C15H24NO4P — CID 72946419

IUPAC(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](c2ccc(C)cc2)ON1C
InChIInChI=1S/C15H24NO4P/c1-5-18-21(17,19-6-2)15-11-14(20-16(15)4)13-9-7-12(3)8-10-13/h7-10,14-15H,5-6,11H2,1-4H3/t14-,15+/m1/s1
InChIKeyKALMRLCHLWHOND-CABCVRRESA-N
MW313.33 g/mol
LogP3.90
Rot. Bonds6

About (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine

(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine (PubChem CID 72946419) has the molecular formula C15H24NO4P and a molecular weight of 313.33 g/mol. Its IUPAC name is (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
PubChem CID72946419
Molecular FormulaC15H24NO4P
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Name(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](c2ccc(C)cc2)ON1C
InChIInChI=1S/C15H24NO4P/c1-5-18-21(17,19-6-2)15-11-14(20-16(15)4)13-9-7-12(3)8-10-13/h7-10,14-15H,5-6,11H2,1-4H3/t14-,15+/m1/s1
InChIKeyKALMRLCHLWHOND-CABCVRRESA-N
XLogP3.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine?
The IUPAC name of (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine (CID 72946419) is (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine.
What is the SMILES notation for (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine?
The canonical SMILES for (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine is CCOP(=O)(OCC)[C@H]1C[C@H](c2ccc(C)cc2)ON1C.
What is the InChIKey of (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine?
The InChIKey is KALMRLCHLWHOND-CABCVRRESA-N. The full InChI is InChI=1S/C15H24NO4P/c1-5-18-21(17,19-6-2)15-11-14(20-16(15)4)13-9-7-12(3)8-10-13/h7-10,14-15H,5-6,11H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine?
(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine has a molecular weight of 313.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine is sourced from PubChem (CID 72946419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).